1-(3-nitropyridin-1-ium-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C16H15F3N5O4+ MolecularWeight: 398.31661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H14F3N5O4/c17-16(18,19)11-3-4-12(14(10-11)24(27)28)21-6-8-22(9-7-21)15-13(23(25)26)2-1-5-20-15/h1-5,10H,6-9H2/p+1